Free-atom-like d states beyond the dilute limit of single-atom alloys-Reference-Cited by-同舟云学术

Free-atom-like d states beyond the dilute limit of single-atom alloys

Published:2023 Issue:6 Volume:14 Page:1503-1511
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Rosen Andrew S.¹²³^ORCID,Vijay Sudarshan¹³^ORCID,Persson Kristin A.¹⁴^ORCID

Affiliation:

1. Department of Materials Science and Engineering, University of California, Berkeley, Berkeley, California, 94720, USA

2. Miller Institute for Basic Research in Science, University of California, Berkeley, Berkeley, California 94720, USA

3. Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA

4. Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA

Abstract

Through the use of high-throughput quantum-mechanical calculations, we uncover a diverse range of metal alloys and intermetallics with “free-atom-like” electronic states and discuss the potential implications for heterogeneous catalyst design.

Funder

Basic Energy Sciences

Adolph C. and Mary Sprague Miller Institute for Basic Research in Science, University of California Berkeley

University of California Berkeley

National Energy Research Scientific Computing Center

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/SC/D2SC05772G

Reference61 articles.

1. Single-Site Heterogeneous Catalysts

2. Catalysis by Design: Well-Defined Single-Site Heterogeneous Catalysts

3. Towards the computational design of solid catalysts

4. Computational Methods in Heterogeneous Catalysis

5. Interpretable machine learning for knowledge generation in heterogeneous catalysis

Cited by 12 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Electronic Properties of Single-Atom Metal Catalysts Supported on Nitrogen-Doped Carbon;The Journal of Physical Chemistry C;2024-08-07

2. Single-atom catalysis: a promising avenue for precisely controlling reaction pathways;Frontiers of Chemical Science and Engineering;2024-06-15

3. From Single Metals to High‐Entropy Alloys: How Machine Learning Accelerates the Development of Metal Electrocatalysts;Advanced Functional Materials;2024-04-25

4. Remote Activation of H–H Bonds by Platinum in Dilute Alloy Catalysts;ACS Catalysis;2024-04-23

5. Recent advances in single-atom alloys: preparation methods and applications in heterogeneous catalysis;RSC Advances;2024